Geometry & MOs

Info

ID:	198302
PubChem CID:	79083338
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	-132.81
Dipole, Da:	3.62
IP(EA), eV:	-8.72(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

COC1CC(NC1)C(=O)NCC2CN3CCCC3CO2

DOS

IR

Vibrations